3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline

C18H19N3S — CID 50997457

IUPAC3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline
SMILESCN1CCN(c2cnc3cccc(-c4cccs4)c3c2)CC1
InChIInChI=1S/C18H19N3S/c1-20-7-9-21(10-8-20)14-12-16-15(18-6-3-11-22-18)4-2-5-17(16)19-13-14/h2-6,11-13H,7-10H2,1H3
InChIKeyQPJTXKKFDUZXEU-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.72
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline

3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline (PubChem CID 50997457) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline
PubChem CID50997457
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline
SMILESCN1CCN(c2cnc3cccc(-c4cccs4)c3c2)CC1
InChIInChI=1S/C18H19N3S/c1-20-7-9-21(10-8-20)14-12-16-15(18-6-3-11-22-18)4-2-5-17(16)19-13-14/h2-6,11-13H,7-10H2,1H3
InChIKeyQPJTXKKFDUZXEU-UHFFFAOYSA-N
XLogP3.72
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline (CID 50997457) is 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline is CN1CCN(c2cnc3cccc(-c4cccs4)c3c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline?
The InChIKey is QPJTXKKFDUZXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-20-7-9-21(10-8-20)14-12-16-15(18-6-3-11-22-18)4-2-5-17(16)19-13-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline?
3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline has a molecular weight of 309.44 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5-thiophen-2-ylquinoline is sourced from PubChem (CID 50997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).